4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid

C15H22N2O4 — CID 103159203

IUPAC4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)N(C)c1ccc(C)cc1C)CC(=O)O
InChIInChI=1S/C15H22N2O4/c1-10-5-6-13(11(2)7-10)17(3)15(20)16-9-12(21-4)8-14(18)19/h5-7,12H,8-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyVQXXKVFJNRCJNJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.94
Rot. Bonds6

About 4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid

4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid (PubChem CID 103159203) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
PubChem CID103159203
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)N(C)c1ccc(C)cc1C)CC(=O)O
InChIInChI=1S/C15H22N2O4/c1-10-5-6-13(11(2)7-10)17(3)15(20)16-9-12(21-4)8-14(18)19/h5-7,12H,8-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyVQXXKVFJNRCJNJ-UHFFFAOYSA-N
XLogP1.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
CID 103158245
3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 103158759
3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 103159199
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid
CID 62002129
(2S)-4-amino-2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63717377
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 62003259
3-methoxy-4-[3-(4-methylphenoxy)propanoylamino]butanoic acid
CID 103153206
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
CID 103152460
4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-methoxybutanoic acid
CID 103153136
4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-oxobut-2-enoic acid
CID 76930790
4-[(3-bromo-4-methylbenzoyl)amino]-3-methoxybutanoic acid
CID 103152922

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid (CID 103159203) is 4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid is COC(CNC(=O)N(C)c1ccc(C)cc1C)CC(=O)O.
What is the InChIKey of 4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid?
The InChIKey is VQXXKVFJNRCJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-5-6-13(11(2)7-10)17(3)15(20)16-9-12(21-4)8-14(18)19/h5-7,12H,8-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid?
4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103159203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).